6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine

C24H22ClF3N2 — CID 67801785

IUPAC6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine
SMILESCCN(CC)c1cc(Nc2cccc(C(F)(F)F)c2)c2c(c1)-c1cc(Cl)ccc1C2
InChIInChI=1S/C24H22ClF3N2/c1-3-30(4-2)19-13-21-20-12-17(25)9-8-15(20)10-22(21)23(14-19)29-18-7-5-6-16(11-18)24(26,27)28/h5-9,11-14,29H,3-4,10H2,1-2H3
InChIKeyBYDZGQJAKIWUHP-UHFFFAOYSA-N
MW430.90 g/mol
LogP7.52
Rot. Bonds5

About 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine

6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine (PubChem CID 67801785) has the molecular formula C24H22ClF3N2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine.

Molecular Properties

Compound Name6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine
PubChem CID67801785
Molecular FormulaC24H22ClF3N2
Molecular Weight430.90 g/mol
Exact Mass430.14
IUPAC Name6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine
SMILESCCN(CC)c1cc(Nc2cccc(C(F)(F)F)c2)c2c(c1)-c1cc(Cl)ccc1C2
InChIInChI=1S/C24H22ClF3N2/c1-3-30(4-2)19-13-21-20-12-17(25)9-8-15(20)10-22(21)23(14-19)29-18-7-5-6-16(11-18)24(26,27)28/h5-9,11-14,29H,3-4,10H2,1-2H3
InChIKeyBYDZGQJAKIWUHP-UHFFFAOYSA-N
XLogP7.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
sodium 4-chloro-2-[3-(trifluoromethyl)anilino]benzoate
CID 23680234
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22546443
1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine
CID 70388802
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine
CID 152581853
4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 23485924
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine?
The IUPAC name of 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine (CID 67801785) is 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine.
What is the SMILES notation for 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine?
The canonical SMILES for 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine is CCN(CC)c1cc(Nc2cccc(C(F)(F)F)c2)c2c(c1)-c1cc(Cl)ccc1C2.
What is the InChIKey of 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine?
The InChIKey is BYDZGQJAKIWUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2/c1-3-30(4-2)19-13-21-20-12-17(25)9-8-15(20)10-22(21)23(14-19)29-18-7-5-6-16(11-18)24(26,27)28/h5-9,11-14,29H,3-4,10H2,1-2H3.
What are the key properties of 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine?
6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine has a molecular weight of 430.90 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine is sourced from PubChem (CID 67801785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).