3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine

C11H13F3N2 — CID 115037627

IUPAC3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine
SMILESNC1(C(F)F)CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C11H13F3N2/c12-8-1-3-9(4-2-8)16-6-5-11(15,7-16)10(13)14/h1-4,10H,5-7,15H2
InChIKeyDNLYUMQPECXVTA-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.00
Rot. Bonds2

About 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine

3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 115037627) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine
PubChem CID115037627
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine
SMILESNC1(C(F)F)CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C11H13F3N2/c12-8-1-3-9(4-2-8)16-6-5-11(15,7-16)10(13)14/h1-4,10H,5-7,15H2
InChIKeyDNLYUMQPECXVTA-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-1-(2-fluorophenyl)pyrrolidin-3-amine
CID 115037625
4-(difluoromethyl)-1-phenylpiperidin-4-amine
CID 106821028
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile
CID 117012892
(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
CID 97181815
(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
CID 165032426
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
CID 164739379
8-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane
CID 59505678
1-(4-fluorophenyl)-4-hydroxyazepane-4-carboxylic acid
CID 115055650
3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid
CID 115055627
[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024877

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine (CID 115037627) is 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine is NC1(C(F)F)CCN(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is DNLYUMQPECXVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-8-1-3-9(4-2-8)16-6-5-11(15,7-16)10(13)14/h1-4,10H,5-7,15H2.
What are the key properties of 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine?
3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 115037627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).