[4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone

C11H16ClF2NO — CID 59581203

IUPAC[4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESO=C(C1CC1(F)F)N1CCC(CCCl)CC1
InChIInChI=1S/C11H16ClF2NO/c12-4-1-8-2-5-15(6-3-8)10(16)9-7-11(9,13)14/h8-9H,1-7H2
InChIKeyRYSURGUCQQBFLX-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.51
Rot. Bonds3

About [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone

[4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone (PubChem CID 59581203) has the molecular formula C11H16ClF2NO and a molecular weight of 251.70 g/mol. Its IUPAC name is [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
PubChem CID59581203
Molecular FormulaC11H16ClF2NO
Molecular Weight251.70 g/mol
Exact Mass251.09
IUPAC Name[4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESO=C(C1CC1(F)F)N1CCC(CCCl)CC1
InChIInChI=1S/C11H16ClF2NO/c12-4-1-8-2-5-15(6-3-8)10(16)9-7-11(9,13)14/h8-9H,1-7H2
InChIKeyRYSURGUCQQBFLX-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone
CID 155469673
1-[4-(2-Chloroacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 39359380
5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875321
5-Chloro-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 54936663
4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55204446
3-Chloro-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60917881
3-Chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
4-Chloro-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 63308031
1-[3-(Chloromethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 63393426
1-[3-(2-Chloroethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 63396189
1-[4-(Chloromethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 63397901
3-Chloro-2,2-dimethyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 63680933

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The IUPAC name of [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone (CID 59581203) is [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone.
What is the SMILES notation for [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The canonical SMILES for [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone is O=C(C1CC1(F)F)N1CCC(CCCl)CC1.
What is the InChIKey of [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The InChIKey is RYSURGUCQQBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2NO/c12-4-1-8-2-5-15(6-3-8)10(16)9-7-11(9,13)14/h8-9H,1-7H2.
What are the key properties of [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
[4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone has a molecular weight of 251.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone is sourced from PubChem (CID 59581203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).