4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride

C8H14ClF2N — CID 134128320

IUPAC4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride
SMILESCl.NC12CCC(C(F)F)(CC1)C2
InChIInChI=1S/C8H13F2N.ClH/c9-6(10)7-1-3-8(11,5-7)4-2-7;/h6H,1-5,11H2;1H
InChIKeyQTYGYSBKUORBPU-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.33
Rot. Bonds1

About 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride

4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride (PubChem CID 134128320) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride
PubChem CID134128320
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride
SMILESCl.NC12CCC(C(F)F)(CC1)C2
InChIInChI=1S/C8H13F2N.ClH/c9-6(10)7-1-3-8(11,5-7)4-2-7;/h6H,1-5,11H2;1H
InChIKeyQTYGYSBKUORBPU-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane
CID 122462461
3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine
CID 170557209
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
CID 131886465
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 86775403
1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
CID 167721400
1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine
CID 167721084
4-(difluoromethyl)spiro[4.4]nonan-4-amine
CID 130605016
cyclopropane-1,1-diamine;hydrochloride
CID 141361875
4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine
CID 80605848

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride?
The IUPAC name of 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride (CID 134128320) is 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride.
What is the SMILES notation for 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride?
The canonical SMILES for 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride is Cl.NC12CCC(C(F)F)(CC1)C2.
What is the InChIKey of 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride?
The InChIKey is QTYGYSBKUORBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c9-6(10)7-1-3-8(11,5-7)4-2-7;/h6H,1-5,11H2;1H.
What are the key properties of 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride?
4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine;hydrochloride is sourced from PubChem (CID 134128320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).