(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon

C14H25F3Xe — CID 163910604

IUPAC(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon
SMILESC[Xe]C(CC1CCCCCCCC1)CC(F)(F)F
InChIInChI=1S/C14H25F3Xe/c1-18-13(11-14(15,16)17)10-12-8-6-4-2-3-5-7-9-12/h12-13H,2-11H2,1H3
InChIKeyQRSRTKNSHADBBN-UHFFFAOYSA-N
MW381.64 g/mol
LogP6.00
Rot. Bonds4

About (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon

(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon (PubChem CID 163910604) has the molecular formula C14H25F3Xe and a molecular weight of 381.64 g/mol. Its IUPAC name is (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon.

Molecular Properties

Compound Name(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon
PubChem CID163910604
Molecular FormulaC14H25F3Xe
Molecular Weight381.64 g/mol
Exact Mass382.09
IUPAC Name(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon
SMILESC[Xe]C(CC1CCCCCCCC1)CC(F)(F)F
InChIInChI=1S/C14H25F3Xe/c1-18-13(11-14(15,16)17)10-12-8-6-4-2-3-5-7-9-12/h12-13H,2-11H2,1H3
InChIKeyQRSRTKNSHADBBN-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.64
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-3,3-difluorobutan-2-amine
CID 84656075
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
2,3,5,5-tetramethylhexylcyclohexane
CID 57232687
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
CID 546182
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1-cyclohexyl-3-methylpentane-2,3-diol
CID 103448798
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311

Frequently Asked Questions

What is the IUPAC name of (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon?
The IUPAC name of (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon (CID 163910604) is (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon.
What is the SMILES notation for (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon?
The canonical SMILES for (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon is C[Xe]C(CC1CCCCCCCC1)CC(F)(F)F.
What is the InChIKey of (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon?
The InChIKey is QRSRTKNSHADBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3Xe/c1-18-13(11-14(15,16)17)10-12-8-6-4-2-3-5-7-9-12/h12-13H,2-11H2,1H3.
What are the key properties of (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon?
(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon has a molecular weight of 381.64 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon is sourced from PubChem (CID 163910604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).