(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol

C14H19F2NO — CID 164739379

IUPAC(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
SMILESCC(C)c1ccc(N2CC[C@](O)(C(F)F)C2)cc1
InChIInChI=1S/C14H19F2NO/c1-10(2)11-3-5-12(6-4-11)17-8-7-14(18,9-17)13(15)16/h3-6,10,13,18H,7-9H2,1-2H3/t14-/m1/s1
InChIKeyJZKBFDSIZIKHHT-CQSZACIVSA-N
MW255.31 g/mol
LogP3.02
Rot. Bonds3

About (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol

(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol (PubChem CID 164739379) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
PubChem CID164739379
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
SMILESCC(C)c1ccc(N2CC[C@](O)(C(F)F)C2)cc1
InChIInChI=1S/C14H19F2NO/c1-10(2)11-3-5-12(6-4-11)17-8-7-14(18,9-17)13(15)16/h3-6,10,13,18H,7-9H2,1-2H3/t14-/m1/s1
InChIKeyJZKBFDSIZIKHHT-CQSZACIVSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
CID 165032426
1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)azetidin-3-ol
CID 164739289
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356747
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
CID 164739201
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
3,3-dimethyl-1-(4-propan-2-ylphenyl)-1,4-diazepane
CID 64941714
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
CID 66577720
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol (CID 164739379) is (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol is CC(C)c1ccc(N2CC[C@](O)(C(F)F)C2)cc1.
What is the InChIKey of (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol?
The InChIKey is JZKBFDSIZIKHHT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(2)11-3-5-12(6-4-11)17-8-7-14(18,9-17)13(15)16/h3-6,10,13,18H,7-9H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol?
(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol has a molecular weight of 255.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 164739379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).