3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline

C14H13ClF3NO — CID 116698821

IUPAC3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
SMILESCC(Cc1ccco1)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H13ClF3NO/c1-9(5-13-3-2-4-20-13)19-12-7-10(14(16,17)18)6-11(15)8-12/h2-4,6-9,19H,5H2,1H3
InChIKeyOTPCVNPUHNTLMP-UHFFFAOYSA-N
MW303.71 g/mol
LogP4.99
Rot. Bonds4

About 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline

3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline (PubChem CID 116698821) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
PubChem CID116698821
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
SMILESCC(Cc1ccco1)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H13ClF3NO/c1-9(5-13-3-2-4-20-13)19-12-7-10(14(16,17)18)6-11(15)8-12/h2-4,6-9,19H,5H2,1H3
InChIKeyOTPCVNPUHNTLMP-UHFFFAOYSA-N
XLogP4.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988
3-chloro-N-(2,6-dimethylheptan-4-yl)-5-(trifluoromethyl)aniline
CID 116698994
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline (CID 116698821) is 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline is CC(Cc1ccco1)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline?
The InChIKey is OTPCVNPUHNTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c1-9(5-13-3-2-4-20-13)19-12-7-10(14(16,17)18)6-11(15)8-12/h2-4,6-9,19H,5H2,1H3.
What are the key properties of 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline?
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline has a molecular weight of 303.71 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116698821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).