4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride

C7H14ClF2N — CID 146155128

IUPAC4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)CC(C(F)F)CN1.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-7(2)3-5(4-10-7)6(8)9;/h5-6,10H,3-4H2,1-2H3;1H
InChIKeyXYIMHWMKFSOQDU-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.06
Rot. Bonds1

About 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride

4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride (PubChem CID 146155128) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride
PubChem CID146155128
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)CC(C(F)F)CN1.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-7(2)3-5(4-10-7)6(8)9;/h5-6,10H,3-4H2,1-2H3;1H
InChIKeyXYIMHWMKFSOQDU-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride?
The IUPAC name of 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride (CID 146155128) is 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride is CC1(C)CC(C(F)F)CN1.Cl.
What is the InChIKey of 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride?
The InChIKey is XYIMHWMKFSOQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-7(2)3-5(4-10-7)6(8)9;/h5-6,10H,3-4H2,1-2H3;1H.
What are the key properties of 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride?
4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,2-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 146155128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).