2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol

C6H12FNO — CID 166898382

IUPAC2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol
SMILESC=C(CO)NC(C)CF
InChIInChI=1S/C6H12FNO/c1-5(3-7)8-6(2)4-9/h5,8-9H,2-4H2,1H3
InChIKeyLJONAPXLPKLDHO-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.44
Rot. Bonds4

About 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol

2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol (PubChem CID 166898382) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol
PubChem CID166898382
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol
SMILESC=C(CO)NC(C)CF
InChIInChI=1S/C6H12FNO/c1-5(3-7)8-6(2)4-9/h5,8-9H,2-4H2,1H3
InChIKeyLJONAPXLPKLDHO-UHFFFAOYSA-N
XLogP0.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol?
The IUPAC name of 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol (CID 166898382) is 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol.
What is the SMILES notation for 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol?
The canonical SMILES for 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol is C=C(CO)NC(C)CF.
What is the InChIKey of 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol?
The InChIKey is LJONAPXLPKLDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(3-7)8-6(2)4-9/h5,8-9H,2-4H2,1H3.
What are the key properties of 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol?
2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol has a molecular weight of 133.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropan-2-ylamino)prop-2-en-1-ol is sourced from PubChem (CID 166898382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).