(2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine

C10H17F2N — CID 163256390

IUPAC(2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine
SMILESCC=C(C)[C@@H]1CCCN1CC(F)F
InChIInChI=1S/C10H17F2N/c1-3-8(2)9-5-4-6-13(9)7-10(11)12/h3,9-10H,4-7H2,1-2H3/t9-/m0/s1
InChIKeyTVZBXQUNSFKGKF-VIFPVBQESA-N
MW189.25 g/mol
LogP2.68
Rot. Bonds3

About (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine

(2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine (PubChem CID 163256390) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine
PubChem CID163256390
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine
SMILESCC=C(C)[C@@H]1CCCN1CC(F)F
InChIInChI=1S/C10H17F2N/c1-3-8(2)9-5-4-6-13(9)7-10(11)12/h3,9-10H,4-7H2,1-2H3/t9-/m0/s1
InChIKeyTVZBXQUNSFKGKF-VIFPVBQESA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(8S)-7-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 10964486
1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
(2R)-1-[(1E,3S)-3,6-dimethylhepta-1,5-dienyl]-4,4-difluoro-2-methylpyrrolidine
CID 164672084
1-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
CID 69626988
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
2-(5-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1-methylpyrrolidine
CID 123245342
1-But-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
CID 123701396
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
4-(Difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine
CID 130250105
N-ethyl-2-[(1E)-2-fluorobuta-1,3-dienyl]-3-(fluoromethyl)-N-methylcyclopent-2-en-1-amine
CID 131995465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine?
The IUPAC name of (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine (CID 163256390) is (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine?
The canonical SMILES for (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine is CC=C(C)[C@@H]1CCCN1CC(F)F.
What is the InChIKey of (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine?
The InChIKey is TVZBXQUNSFKGKF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F2N/c1-3-8(2)9-5-4-6-13(9)7-10(11)12/h3,9-10H,4-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine?
(2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-2-en-2-yl-1-(2,2-difluoroethyl)pyrrolidine is sourced from PubChem (CID 163256390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).