(2R,5S,7S)-1,2-difluoroadamantane

C10H14F2 — CID 98537556

IUPAC(2R,5S,7S)-1,2-difluoroadamantane
SMILESF[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(F)C3
InChIInChI=1S/C10H14F2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2/t6-,7-,8?,9+,10?/m0/s1
InChIKeyZFOWGCVSVBFAMK-CDXJPQDZSA-N
MW172.22 g/mol
LogP2.87
Rot. Bonds

About (2R,5S,7S)-1,2-difluoroadamantane

(2R,5S,7S)-1,2-difluoroadamantane (PubChem CID 98537556) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R,5S,7S)-1,2-difluoroadamantane.

Molecular Properties

Compound Name(2R,5S,7S)-1,2-difluoroadamantane
PubChem CID98537556
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R,5S,7S)-1,2-difluoroadamantane
SMILESF[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(F)C3
InChIInChI=1S/C10H14F2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2/t6-,7-,8?,9+,10?/m0/s1
InChIKeyZFOWGCVSVBFAMK-CDXJPQDZSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,7S)-1,2-difluoroadamantane?
The IUPAC name of (2R,5S,7S)-1,2-difluoroadamantane (CID 98537556) is (2R,5S,7S)-1,2-difluoroadamantane.
What is the SMILES notation for (2R,5S,7S)-1,2-difluoroadamantane?
The canonical SMILES for (2R,5S,7S)-1,2-difluoroadamantane is F[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(F)C3.
What is the InChIKey of (2R,5S,7S)-1,2-difluoroadamantane?
The InChIKey is ZFOWGCVSVBFAMK-CDXJPQDZSA-N. The full InChI is InChI=1S/C10H14F2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2/t6-,7-,8?,9+,10?/m0/s1.
What are the key properties of (2R,5S,7S)-1,2-difluoroadamantane?
(2R,5S,7S)-1,2-difluoroadamantane has a molecular weight of 172.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,7S)-1,2-difluoroadamantane is sourced from PubChem (CID 98537556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).