[2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol

C11H21F2NO — CID 102869691

IUPAC[2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCC(NCC1CCCCC1CO)C(F)F
InChIInChI=1S/C11H21F2NO/c1-8(11(12)13)14-6-9-4-2-3-5-10(9)7-15/h8-11,14-15H,2-7H2,1H3
InChIKeyWXRNVUHKIODWQT-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.03
Rot. Bonds5

About [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol

[2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol (PubChem CID 102869691) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol
PubChem CID102869691
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name[2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCC(NCC1CCCCC1CO)C(F)F
InChIInChI=1S/C11H21F2NO/c1-8(11(12)13)14-6-9-4-2-3-5-10(9)7-15/h8-11,14-15H,2-7H2,1H3
InChIKeyWXRNVUHKIODWQT-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol (CID 102869691) is [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol is CC(NCC1CCCCC1CO)C(F)F.
What is the InChIKey of [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is WXRNVUHKIODWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(11(12)13)14-6-9-4-2-3-5-10(9)7-15/h8-11,14-15H,2-7H2,1H3.
What are the key properties of [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol?
[2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 221.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 102869691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).