[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine

C9H11F2N — CID 84654036

IUPAC[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
SMILESCC(F)c1c(F)cccc1CN
InChIInChI=1S/C9H11F2N/c1-6(10)9-7(5-12)3-2-4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyDMSCUXRPPHBTNF-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.31
Rot. Bonds2

About [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine

[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine (PubChem CID 84654036) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
PubChem CID84654036
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
SMILESCC(F)c1c(F)cccc1CN
InChIInChI=1S/C9H11F2N/c1-6(10)9-7(5-12)3-2-4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyDMSCUXRPPHBTNF-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-fluoro-2-(1-fluoroethyl)phenyl]propanal
CID 117287739
(2,3-difluorophenyl)methanamine
CID 2736941
2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
CID 84679562
2-butan-2-yl-1,3-difluorobenzene
CID 56605716

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine (CID 84654036) is [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine is CC(F)c1c(F)cccc1CN.
What is the InChIKey of [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine?
The InChIKey is DMSCUXRPPHBTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-6(10)9-7(5-12)3-2-4-8(9)11/h2-4,6H,5,12H2,1H3.
What are the key properties of [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine?
[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine has a molecular weight of 171.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(1-fluoroethyl)phenyl]methanamine is sourced from PubChem (CID 84654036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).