3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol

C10H19F2NO — CID 105460342

IUPAC3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
SMILESNCC(F)(F)C(O)C1CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12,7-13)9(14)8-5-3-1-2-4-6-8/h8-9,14H,1-7,13H2
InChIKeySIZYMBGYBUUPPW-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol

3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol (PubChem CID 105460342) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
PubChem CID105460342
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
SMILESNCC(F)(F)C(O)C1CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12,7-13)9(14)8-5-3-1-2-4-6-8/h8-9,14H,1-7,13H2
InChIKeySIZYMBGYBUUPPW-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107140105
2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol
CID 79126284
1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 154329934
3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
CID 164746791
ethyl (2S,3R)-2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 11120034
ethyl 2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 14936847
3-cyclopropyl-2,2,3-trifluoropropan-1-amine
CID 105429846
3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62397462
1-cyclopentyl-3,3,3-trifluoropropan-1-ol
CID 61392890
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
CID 24837070
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol?
The IUPAC name of 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol (CID 105460342) is 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol is NCC(F)(F)C(O)C1CCCCCC1.
What is the InChIKey of 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol?
The InChIKey is SIZYMBGYBUUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12,7-13)9(14)8-5-3-1-2-4-6-8/h8-9,14H,1-7,13H2.
What are the key properties of 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol?
3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol is sourced from PubChem (CID 105460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).