1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine

C8H12ClF2N — CID 130704966

IUPAC1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine
SMILESC=C(CCl)CN1CCC(F)(F)C1
InChIInChI=1S/C8H12ClF2N/c1-7(4-9)5-12-3-2-8(10,11)6-12/h1-6H2
InChIKeyFSYOJWCPVZFDEB-UHFFFAOYSA-N
MW195.64 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine

1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine (PubChem CID 130704966) has the molecular formula C8H12ClF2N and a molecular weight of 195.64 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine
PubChem CID130704966
Molecular FormulaC8H12ClF2N
Molecular Weight195.64 g/mol
Exact Mass195.06
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine
SMILESC=C(CCl)CN1CCC(F)(F)C1
InChIInChI=1S/C8H12ClF2N/c1-7(4-9)5-12-3-2-8(10,11)6-12/h1-6H2
InChIKeyFSYOJWCPVZFDEB-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.64
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
CID 58245657
1-[2-(chloromethyl)prop-2-enyl]pyrrolidine
CID 103067565
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
CID 67197404
5-[2-(chloromethyl)prop-2-enyl]-1,2,5-dithiazepane
CID 130708197
2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide
CID 130666924
3-[2-(chloromethyl)prop-2-enyl]-3-azabicyclo[3.1.0]hexane
CID 130863503
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
CID 171837241
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
CID 131212587
2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
CID 115017002
4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
CID 117007578
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
CID 130624309

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine (CID 130704966) is 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine is C=C(CCl)CN1CCC(F)(F)C1.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine?
The InChIKey is FSYOJWCPVZFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N/c1-7(4-9)5-12-3-2-8(10,11)6-12/h1-6H2.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine?
1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine has a molecular weight of 195.64 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 130704966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).