4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol

C7H11F2NO — CID 130054075

IUPAC4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
SMILESNC1CC2C(CC1O)C2(F)F
InChIInChI=1S/C7H11F2NO/c8-7(9)3-1-5(10)6(11)2-4(3)7/h3-6,11H,1-2,10H2
InChIKeyDBYNWWZGTVQTFL-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.35
Rot. Bonds

About 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol

4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol (PubChem CID 130054075) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
PubChem CID130054075
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
SMILESNC1CC2C(CC1O)C2(F)F
InChIInChI=1S/C7H11F2NO/c8-7(9)3-1-5(10)6(11)2-4(3)7/h3-6,11H,1-2,10H2
InChIKeyDBYNWWZGTVQTFL-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
CID 134438278
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
2-amino-4,5-dimethylcyclohexan-1-ol
CID 13425492
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
CID 164655478
3-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 130115031
(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol
CID 55284947
(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol
CID 98125549
7,7-difluorobicyclo[2.2.1]heptan-2-amine
CID 71758529
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
(1S,2S,4S)-2-amino-4-(trifluoromethoxy)cyclopentan-1-ol;hydrochloride
CID 169260887
(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
CID 55289345
2-(fluoromethyl)cyclopropan-1-ol
CID 84715966

Frequently Asked Questions

What is the IUPAC name of 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol?
The IUPAC name of 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol (CID 130054075) is 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol is NC1CC2C(CC1O)C2(F)F.
What is the InChIKey of 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol?
The InChIKey is DBYNWWZGTVQTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)3-1-5(10)6(11)2-4(3)7/h3-6,11H,1-2,10H2.
What are the key properties of 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol?
4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol has a molecular weight of 163.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 130054075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).