1-(2-fluoroethyl)-4-methylcyclohexan-1-amine

C9H18FN — CID 130515363

IUPAC1-(2-fluoroethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(CCF)CC1
InChIInChI=1S/C9H18FN/c1-8-2-4-9(11,5-3-8)6-7-10/h8H,2-7,11H2,1H3
InChIKeyVNLZLLCVERBKCJ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine

1-(2-fluoroethyl)-4-methylcyclohexan-1-amine (PubChem CID 130515363) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylcyclohexan-1-amine
PubChem CID130515363
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(2-fluoroethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(CCF)CC1
InChIInChI=1S/C9H18FN/c1-8-2-4-9(11,5-3-8)6-7-10/h8H,2-7,11H2,1H3
InChIKeyVNLZLLCVERBKCJ-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(2-fluoroethyl)cyclohexan-1-amine
CID 130515354
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
4-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62619918
1-(2-butoxyethyl)-4-methylcyclohexan-1-amine
CID 62620295
2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 164659630
(1-amino-3-methylcyclopentyl)methanol
CID 64516223
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine (CID 130515363) is 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine is CC1CCC(N)(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine?
The InChIKey is VNLZLLCVERBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8-2-4-9(11,5-3-8)6-7-10/h8H,2-7,11H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine?
1-(2-fluoroethyl)-4-methylcyclohexan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 130515363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).