4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine

C13H24F3NO — CID 114225527

IUPAC4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F3NO/c1-18-10-12(14,5-3-7-17)8-11-4-2-6-13(15,16)9-11/h11H,2-10,17H2,1H3
InChIKeyIJLUTFRFGBMBOJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.30
Rot. Bonds7

About 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 114225527) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID114225527
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F3NO/c1-18-10-12(14,5-3-7-17)8-11-4-2-6-13(15,16)9-11/h11H,2-10,17H2,1H3
InChIKeyIJLUTFRFGBMBOJ-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
CID 114224511
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
4-cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
4,8,8,8-tetrafluoro-4-(methoxymethyl)octan-1-amine
CID 103392538
2-(aminomethyl)-2-[(3,3-difluorocyclohexyl)methyl]-3-methylbutanoic acid
CID 114226085
2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine
CID 114223589
4-(4-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392599
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate
CID 114226089
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 114224493

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 114225527) is 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)CC1CCCC(F)(F)C1.
What is the InChIKey of 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is IJLUTFRFGBMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-18-10-12(14,5-3-7-17)8-11-4-2-6-13(15,16)9-11/h11H,2-10,17H2,1H3.
What are the key properties of 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 114225527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).