[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol

C14H25F2NO — CID 114223810

IUPAC[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCC2CCCC(F)(F)C2)CCCCC1
InChIInChI=1S/C14H25F2NO/c15-14(16)8-4-5-12(9-14)10-17-13(11-18)6-2-1-3-7-13/h12,17-18H,1-11H2
InChIKeyPWJNHKAHDWDHBM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.10
Rot. Bonds4

About [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol

[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol (PubChem CID 114223810) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
PubChem CID114223810
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCC2CCCC(F)(F)C2)CCCCC1
InChIInChI=1S/C14H25F2NO/c15-14(16)8-4-5-12(9-14)10-17-13(11-18)6-2-1-3-7-13/h12,17-18H,1-11H2
InChIKeyPWJNHKAHDWDHBM-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclobutylmethylamino)cyclohexyl]methanol
CID 65459866
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
[4-(cyclooctylmethylamino)oxan-4-yl]methanol
CID 114207828
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
[1-(oxan-3-ylmethylamino)cyclopropyl]methanol
CID 115909437
[4-(cyclobutylmethylamino)oxan-4-yl]methanol
CID 103713933
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
CID 114224003
cyclodecanamine;[1-(hydroxymethylamino)cyclononyl]methanol
CID 174794008
3-[(3,3-difluorocycloheptyl)methylcarbamoylamino]propanoic acid
CID 122015022
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol (CID 114223810) is [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol is OCC1(NCC2CCCC(F)(F)C2)CCCCC1.
What is the InChIKey of [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol?
The InChIKey is PWJNHKAHDWDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c15-14(16)8-4-5-12(9-14)10-17-13(11-18)6-2-1-3-7-13/h12,17-18H,1-11H2.
What are the key properties of [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol?
[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol has a molecular weight of 261.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 114223810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).