(1-amino-2,2-difluorocyclopropyl)methanol

C4H7F2NO — CID 112547554

IUPAC(1-amino-2,2-difluorocyclopropyl)methanol
SMILESNC1(CO)CC1(F)F
InChIInChI=1S/C4H7F2NO/c5-4(6)1-3(4,7)2-8/h8H,1-2,7H2
InChIKeyLPBCNQQOFFCAGJ-UHFFFAOYSA-N
MW123.10 g/mol
LogP-0.28
Rot. Bonds1

About (1-amino-2,2-difluorocyclopropyl)methanol

(1-amino-2,2-difluorocyclopropyl)methanol (PubChem CID 112547554) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is (1-amino-2,2-difluorocyclopropyl)methanol.

Molecular Properties

Compound Name(1-amino-2,2-difluorocyclopropyl)methanol
PubChem CID112547554
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name(1-amino-2,2-difluorocyclopropyl)methanol
SMILESNC1(CO)CC1(F)F
InChIInChI=1S/C4H7F2NO/c5-4(6)1-3(4,7)2-8/h8H,1-2,7H2
InChIKeyLPBCNQQOFFCAGJ-UHFFFAOYSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2,2-difluorocyclopropyl)methanol?
The IUPAC name of (1-amino-2,2-difluorocyclopropyl)methanol (CID 112547554) is (1-amino-2,2-difluorocyclopropyl)methanol.
What is the SMILES notation for (1-amino-2,2-difluorocyclopropyl)methanol?
The canonical SMILES for (1-amino-2,2-difluorocyclopropyl)methanol is NC1(CO)CC1(F)F.
What is the InChIKey of (1-amino-2,2-difluorocyclopropyl)methanol?
The InChIKey is LPBCNQQOFFCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c5-4(6)1-3(4,7)2-8/h8H,1-2,7H2.
What are the key properties of (1-amino-2,2-difluorocyclopropyl)methanol?
(1-amino-2,2-difluorocyclopropyl)methanol has a molecular weight of 123.10 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,2-difluorocyclopropyl)methanol is sourced from PubChem (CID 112547554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).