(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

C14H18FNO — CID 164882454

IUPAC(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-10(2)12-9-11(5-6-13(12)15)14(17)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyIWRLYJQJUQHTIE-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.19
Rot. Bonds2

About (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 164882454) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID164882454
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-10(2)12-9-11(5-6-13(12)15)14(17)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyIWRLYJQJUQHTIE-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 162420392
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882856
(3-bromo-4-fluorophenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 103707510
(4-fluoro-3-sulfanylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 107030669
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azetidin-1-yl-(3-fluoro-4-iodophenyl)methanone
CID 139600419
1-[4-(3-amino-4-fluorobenzoyl)piperazin-1-yl]-2-(azepan-1-yl)propan-1-one
CID 167801819
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (CID 164882454) is (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCCC2)ccc1F.
What is the InChIKey of (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is IWRLYJQJUQHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(2)12-9-11(5-6-13(12)15)14(17)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 235.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 164882454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).