(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile

C8H11F3N2 — CID 166648044

IUPAC(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile
SMILESN#CC1C(F)C(N)CCC(F)[C@@H]1F
InChIInChI=1S/C8H11F3N2/c9-5-1-2-6(13)8(11)4(3-12)7(5)10/h4-8H,1-2,13H2/t4?,5?,6?,7-,8?/m1/s1
InChIKeyDJBVOMGSDBUAHH-HNVBXDBXSA-N
MW192.18 g/mol
LogP1.26
Rot. Bonds

About (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile

(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile (PubChem CID 166648044) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile.

Molecular Properties

Compound Name(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile
PubChem CID166648044
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile
SMILESN#CC1C(F)C(N)CCC(F)[C@@H]1F
InChIInChI=1S/C8H11F3N2/c9-5-1-2-6(13)8(11)4(3-12)7(5)10/h4-8H,1-2,13H2/t4?,5?,6?,7-,8?/m1/s1
InChIKeyDJBVOMGSDBUAHH-HNVBXDBXSA-N
XLogP1.26
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile?
The IUPAC name of (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile (CID 166648044) is (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile.
What is the SMILES notation for (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile?
The canonical SMILES for (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile is N#CC1C(F)C(N)CCC(F)[C@@H]1F.
What is the InChIKey of (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile?
The InChIKey is DJBVOMGSDBUAHH-HNVBXDBXSA-N. The full InChI is InChI=1S/C8H11F3N2/c9-5-1-2-6(13)8(11)4(3-12)7(5)10/h4-8H,1-2,13H2/t4?,5?,6?,7-,8?/m1/s1.
What are the key properties of (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile?
(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile has a molecular weight of 192.18 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile is sourced from PubChem (CID 166648044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).