4,4-bis(fluoromethyl)piperidine

C7H13F2N — CID 153409538

IUPAC4,4-bis(fluoromethyl)piperidine
SMILESFCC1(CF)CCNCC1
InChIInChI=1S/C7H13F2N/c8-5-7(6-9)1-3-10-4-2-7/h10H,1-6H2
InChIKeyCTJRZENDPUMHAG-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.30
Rot. Bonds2

About 4,4-bis(fluoromethyl)piperidine

4,4-bis(fluoromethyl)piperidine (PubChem CID 153409538) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 4,4-bis(fluoromethyl)piperidine.

Molecular Properties

Compound Name4,4-bis(fluoromethyl)piperidine
PubChem CID153409538
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name4,4-bis(fluoromethyl)piperidine
SMILESFCC1(CF)CCNCC1
InChIInChI=1S/C7H13F2N/c8-5-7(6-9)1-3-10-4-2-7/h10H,1-6H2
InChIKeyCTJRZENDPUMHAG-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 139533721
2-[4-(fluoromethyl)piperidin-4-yl]ethanamine
CID 115012569
1,1-bis(fluoromethyl)cyclopropane
CID 90891760
4,4-diethylpiperidine;hydrochloride
CID 75419509
4-(fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 146082411
CID 163567605
CID 163567605
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride
CID 146082410
4,4-difluoropiperidine;methane
CID 143607085
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
N-[(4-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 63129554
4,4-bis(fluoromethyl)cyclohexan-1-ol
CID 90016387

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(fluoromethyl)piperidine?
The IUPAC name of 4,4-bis(fluoromethyl)piperidine (CID 153409538) is 4,4-bis(fluoromethyl)piperidine.
What is the SMILES notation for 4,4-bis(fluoromethyl)piperidine?
The canonical SMILES for 4,4-bis(fluoromethyl)piperidine is FCC1(CF)CCNCC1.
What is the InChIKey of 4,4-bis(fluoromethyl)piperidine?
The InChIKey is CTJRZENDPUMHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c8-5-7(6-9)1-3-10-4-2-7/h10H,1-6H2.
What are the key properties of 4,4-bis(fluoromethyl)piperidine?
4,4-bis(fluoromethyl)piperidine has a molecular weight of 149.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(fluoromethyl)piperidine is sourced from PubChem (CID 153409538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).