(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol

C10H11F4NO2 — CID 171248414

IUPAC(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
SMILESN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)CO
InChIInChI=1S/C10H11F4NO2/c11-9(12)17-7-3-1-6(2-4-7)8(15)10(13,14)5-16/h1-4,8-9,16H,5,15H2/t8-/m0/s1
InChIKeyROCKSEWDPYITFT-QMMMGPOBSA-N
MW253.20 g/mol
LogP1.92
Rot. Bonds5

About (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol

(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol (PubChem CID 171248414) has the molecular formula C10H11F4NO2 and a molecular weight of 253.20 g/mol. Its IUPAC name is (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
PubChem CID171248414
Molecular FormulaC10H11F4NO2
Molecular Weight253.20 g/mol
Exact Mass253.07
IUPAC Name(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
SMILESN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)CO
InChIInChI=1S/C10H11F4NO2/c11-9(12)17-7-3-1-6(2-4-7)8(15)10(13,14)5-16/h1-4,8-9,16H,5,15H2/t8-/m0/s1
InChIKeyROCKSEWDPYITFT-QMMMGPOBSA-N
XLogP1.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 171243439
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171268477
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171238873
(3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171243512
(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171250247
(3S)-3-[4-(difluoromethoxy)phenyl]-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176371

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol?
The IUPAC name of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol (CID 171248414) is (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol is N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol?
The InChIKey is ROCKSEWDPYITFT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F4NO2/c11-9(12)17-7-3-1-6(2-4-7)8(15)10(13,14)5-16/h1-4,8-9,16H,5,15H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol?
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol has a molecular weight of 253.20 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 171248414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).