1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C12H14ClF4N — CID 64712462

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClF4N/c1-2-18-10(6-7-12(15,16)17)8-4-3-5-9(13)11(8)14/h3-5,10,18H,2,6-7H2,1H3
InChIKeyPFELAGYGJXUNCD-UHFFFAOYSA-N
MW283.70 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine

1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64712462) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID64712462
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClF4N/c1-2-18-10(6-7-12(15,16)17)8-4-3-5-9(13)11(8)14/h3-5,10,18H,2,6-7H2,1H3
InChIKeyPFELAGYGJXUNCD-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009145
N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
CID 104992817
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83176044
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 64712462) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is PFELAGYGJXUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF4N/c1-2-18-10(6-7-12(15,16)17)8-4-3-5-9(13)11(8)14/h3-5,10,18H,2,6-7H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 283.70 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64712462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).