(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol

C14H20F3NO — CID 155479457

IUPAC(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
SMILESC[C@H](CCCO)C(F)(F)c1cccc([C@@H](C)N)c1F
InChIInChI=1S/C14H20F3NO/c1-9(5-4-8-19)14(16,17)12-7-3-6-11(10(2)18)13(12)15/h3,6-7,9-10,19H,4-5,8,18H2,1-2H3/t9-,10-/m1/s1
InChIKeyAZOABLBDCQARHJ-NXEZZACHSA-N
MW275.31 g/mol
LogP3.35
Rot. Bonds6

About (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol

(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol (PubChem CID 155479457) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
PubChem CID155479457
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
SMILESC[C@H](CCCO)C(F)(F)c1cccc([C@@H](C)N)c1F
InChIInChI=1S/C14H20F3NO/c1-9(5-4-8-19)14(16,17)12-7-3-6-11(10(2)18)13(12)15/h3,6-7,9-10,19H,4-5,8,18H2,1-2H3/t9-,10-/m1/s1
InChIKeyAZOABLBDCQARHJ-NXEZZACHSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol
CID 138750776
5-[3-(1-aminoethyl)-2-fluorophenyl]-5,5-difluoropentan-1-ol
CID 166147556
1-[3-[(2R)-1,1-difluoro-5-hydroxy-2-methylpentyl]-2-fluorophenyl]ethanone
CID 138750720
2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 138750754
CID 166073038
CID 166073038
1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethanamine;hydrochloride
CID 166147481
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine
CID 171227373
1-[3-[2-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoroethyl]-2-fluorophenyl]ethanamine
CID 170776064
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171227374

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
The IUPAC name of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol (CID 155479457) is (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol.
What is the SMILES notation for (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
The canonical SMILES for (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol is C[C@H](CCCO)C(F)(F)c1cccc([C@@H](C)N)c1F.
What is the InChIKey of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
The InChIKey is AZOABLBDCQARHJ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9(5-4-8-19)14(16,17)12-7-3-6-11(10(2)18)13(12)15/h3,6-7,9-10,19H,4-5,8,18H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol is sourced from PubChem (CID 155479457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).