2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol

C13H13F2NO — CID 106177968

IUPAC2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1ccc2ccccc2c1
InChIInChI=1S/C13H13F2NO/c14-13(15,9-17)8-16-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,16-17H,8-9H2
InChIKeyFSOAGZOAVXJYJG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.88
Rot. Bonds4

About 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol

2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol (PubChem CID 106177968) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol
PubChem CID106177968
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1ccc2ccccc2c1
InChIInChI=1S/C13H13F2NO/c14-13(15,9-17)8-16-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,16-17H,8-9H2
InChIKeyFSOAGZOAVXJYJG-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,3-trimethylbutyl)naphthalen-2-amine
CID 114100780
2-methyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106294557
2-bromo-4-[(2,2-difluoro-3-hydroxypropyl)amino]benzoic acid
CID 106178629
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135171
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol
CID 166448656
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-tert-butylnaphthalen-2-amine
CID 13200783
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol (CID 106177968) is 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol is OCC(F)(F)CNc1ccc2ccccc2c1.
What is the InChIKey of 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol?
The InChIKey is FSOAGZOAVXJYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-13(15,9-17)8-16-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,16-17H,8-9H2.
What are the key properties of 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol?
2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol has a molecular weight of 237.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol is sourced from PubChem (CID 106177968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).