1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine

C14H18F3N — CID 114215925

IUPAC1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1CCCC(F)(F)C1
InChIInChI=1S/C14H18F3N/c15-12-6-2-1-4-10(12)8-13(18)11-5-3-7-14(16,17)9-11/h1-2,4,6,11,13H,3,5,7-9,18H2
InChIKeyHWWBIGMBASMLCC-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.52
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine

1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 114215925) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
PubChem CID114215925
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1CCCC(F)(F)C1
InChIInChI=1S/C14H18F3N/c15-12-6-2-1-4-10(12)8-13(18)11-5-3-7-14(16,17)9-11/h1-2,4,6,11,13H,3,5,7-9,18H2
InChIKeyHWWBIGMBASMLCC-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
CID 114216183
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
CID 114216932
1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 114226376
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
CID 105087726
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine (CID 114215925) is 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)C1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is HWWBIGMBASMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-12-6-2-1-4-10(12)8-13(18)11-5-3-7-14(16,17)9-11/h1-2,4,6,11,13H,3,5,7-9,18H2.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine?
1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 257.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114215925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).