7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine

C7H12F2N2 — CID 21301277

IUPAC7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
SMILESNC1CC2C(N)CC1C2(F)F
InChIInChI=1S/C7H12F2N2/c8-7(9)3-1-5(10)4(7)2-6(3)11/h3-6H,1-2,10-11H2
InChIKeySZHSVRIOZJETQH-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.32
Rot. Bonds

About 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine

7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine (PubChem CID 21301277) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine.

Molecular Properties

Compound Name7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
PubChem CID21301277
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
SMILESNC1CC2C(N)CC1C2(F)F
InChIInChI=1S/C7H12F2N2/c8-7(9)3-1-5(10)4(7)2-6(3)11/h3-6H,1-2,10-11H2
InChIKeySZHSVRIOZJETQH-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
CID 134438278
4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
CID 130054075
7,7-difluorobicyclo[2.2.1]heptan-2-amine
CID 71758529
3-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 130115031
2-fluorocyclopropan-1-amine
CID 10197614
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
CID 164655478
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
9,9-difluorobicyclo[6.1.0]nonane
CID 12610907
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
CID 23532969
9,9-difluorobicyclo[3.3.1]nonan-3-amine
CID 154848948
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
[6-(aminomethyl)-7,7-difluoro-2-bicyclo[2.2.1]heptanyl]methanamine
CID 21301294

Frequently Asked Questions

What is the IUPAC name of 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine?
The IUPAC name of 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine (CID 21301277) is 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine.
What is the SMILES notation for 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine?
The canonical SMILES for 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine is NC1CC2C(N)CC1C2(F)F.
What is the InChIKey of 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine?
The InChIKey is SZHSVRIOZJETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)3-1-5(10)4(7)2-6(3)11/h3-6H,1-2,10-11H2.
What are the key properties of 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine?
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine has a molecular weight of 162.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine is sourced from PubChem (CID 21301277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).